[
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    "molid": "mol32338",
    "smiles": "O=C(O)C1OC(Oc2ccc3ncccc3c2)C(O)C(O)C1O",
    "microspecies": [
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        "id": "1_3",
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        "smiles": "OC(=[OH+])[C@H]1O[C@@H](Oc2ccc3ncccc3c2)[C@@H](O)[C@H](O)[C@@H]1O",
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        "id": "1_4",
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        "id": "1_5",
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        "smiles": "O=C(O)[C@H]1O[C@@H](Oc2ccc3ncccc3c2)[C@@H](O)[C@H](O)[C@@H]1[OH2+]",
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        "id": "-1_3",
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    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
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        "pka_value": 3.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]